SCHEMBL22790760

SCHEMBL22790760

CC(C)CCCOCCOCCNCc1ccc(N2CCN(I)CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ RAD52 P43351 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ KDM4E B2RXH2 5/20 0.34
▸ TDP1 Q9NUW8 3/20 0.34
▸ THRB P10828 1/20 0.34
▸ NCF1 P14598 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ ALOX12 P18054 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ LMNA P02545 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22794070 0.91 KDM4E (0.37) L3MBTL1KDM4ETDP1THRBNCF1
SCHEMBL24513989 0.89 KDM4E (0.41) L3MBTL1RAD52PAX8KDM4ETDP1
SCHEMBL25108924 0.88 KDM4E (0.40) L3MBTL1RAD52PAX8KDM4ETDP1
SCHEMBL25481136 0.85 L3MBTL1 (0.34) L3MBTL1RAD52PAX8KDM4ETDP1
SCHEMBL25481170 0.84 KDM4E (0.34) L3MBTL1RAD52PAX8KDM4ETDP1
SCHEMBL25110212 0.83 KDM4E (0.42) KDM4ETDP1THRBNCF1HDAC3
SCHEMBL24514674 0.81 NCF1 (0.45) L3MBTL1KDM4ETDP1THRBNCF1
SCHEMBL24513990 0.80 KDM4E (0.41) KDM4ETDP1THRBNCF1SMN1; SMN2
SCHEMBL22793929 0.78 KDM4E (0.42) L3MBTL1RAD52PAX8KDM4ETDP1
SCHEMBL25110291 0.78 KDM4E (0.37) L3MBTL1RAD52PAX8KDM4ETDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020251972-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-17 — — WO disclosed
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